22TZ
Crystal structure of AstC in complex with farnesyl pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-14 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.872, 104.205, 127.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.030 - 2.960 |
| R-factor | 0.1745 |
| Rwork | 0.172 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.590 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.030 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.263 | 1.581 |
| Number of reflections | 25641 | 2507 |
| <I/σ(I)> | 8.3 | 1.2 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 6.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 4000, 100mM HEPES pH 7.5, 10% (v/v) 2-propanol |
